N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine

C15H14Br2FN — CID 43221213

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
SMILESCC(NCc1ccc(F)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C15H14Br2FN/c1-10(12-4-2-3-5-13(12)16)19-9-11-6-7-15(18)14(17)8-11/h2-8,10,19H,9H2,1H3
InChIKeyKHPKGACUPNMTFF-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.20
Rot. Bonds4

About N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine

N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine (PubChem CID 43221213) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
PubChem CID43221213
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
SMILESCC(NCc1ccc(F)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C15H14Br2FN/c1-10(12-4-2-3-5-13(12)16)19-9-11-6-7-15(18)14(17)8-11/h2-8,10,19H,9H2,1H3
InChIKeyKHPKGACUPNMTFF-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.09
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-bromophenyl)-N-[(3,4-dibromophenyl)methyl]ethanamine
CID 104865453
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 83230762
2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
CID 55025832
(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 81382922
(1R)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880955
(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880970
N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181011
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104865448
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 51675565
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 43371868

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine (CID 43221213) is N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine is CC(NCc1ccc(F)c(Br)c1)c1ccccc1Br.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine?
The InChIKey is KHPKGACUPNMTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-10(12-4-2-3-5-13(12)16)19-9-11-6-7-15(18)14(17)8-11/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine?
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine has a molecular weight of 387.09 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine is sourced from PubChem (CID 43221213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).